{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.490324 0.21511 0.749991 ] [ 0.990324 0.78489 0.249991 ] [ 0.00567 0.726807 0.749897 ] [ 0.50567 0.273193 0.249897 ] [ 0.00021 0.250515 0.500496 ] [ 0.50021 0.749485 0.000496 ] [ 0.999992 0.25081 0.999278 ] [ 0.499992 0.74919 0.499278 ] [ 0.421875 0.737566 0.245548 ] [ 0.774574 0.532598 0.041252 ] [ 0.784271 0.525134 0.458554 ] [ 0.284271 0.474866 0.958554 ] [ 0.274574 0.467402 0.541252 ] [ 0.921875 0.262434 0.745548 ] [ 0.069308 0.235209 0.254321 ] [ 0.731346 0.02736 0.462337 ] [ 0.722431 0.020093 0.038326 ] [ 0.222431 0.979907 0.538326 ] [ 0.231346 0.97264 0.962337 ] [ 0.569308 0.764791 0.754321 ] ] } "species" { "source-value" [ "Ca" "Ca" "La" "La" "Mn" "Mn" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.48771722141 "source-unit" "angstrom" } "b" { "source-value" 5.49390717 "source-unit" "angstrom" } "c" { "source-value" 7.73168343942 "source-unit" "angstrom" } "beta" { "source-value" 90.0898584267 "source-unit" "degree" } }